2,3,4-Trihydroxybenzoic acid supplier

Name
2,3,4-Trihydroxybenzoic acid
EINECS 210-205-9
CAS No. 610-02-6
Article Data25
CAS DataBase
Density 1.749 g/cm³
Solubility Slightly soluble in water.
Melting Point 205 °C (dec.)
Formula C₇H₆O₅
Boiling Point 437.524 °C at 760 mmHg
Molecular Weight 170.122
Flash Point 232.543 °C
Transport Information
Appearance white-like crystal
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,3,4-Trihydroxybenzenecarboxylicacid;Benzoic acid,2,3,4-trihydroxy-;4-Pyrogallolcarboxylic acid;NSC 27436;Pyrogallol-4-carboxylic acid;
PSA 97.99000
LogP 0.50160

Synthetic route

C6H7O5: C6H7O5

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 2.5h;	96%

: 298-81-7
9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
bei der Kalischmelze;

: 4435-88-5
3-formyl-2, 4-dihydroxybenzoic acid

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide

: 122-39-4
diphenylamine

: 87-66-1
2-hydroxyresorcinol

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 87-66-1
2-hydroxyresorcinol

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With water; sodium hydrogencarbonate; sodium sulfate
With potassium hydrogencarbonate at 160 - 170℃; im Leuchtgas-Strom;

: 87-66-1
2-hydroxyresorcinol

A: 610-02-6
2,3,4-trihydroxybenzoic acid

B: 27163-60-6
4,5,6-trihydroxyisophthalic acid

Conditions

Conditions	Yield
With ammonium carbonate; water at 130℃;

: 298-14-6
potassium hydrogencarbonate

: 87-66-1
2-hydroxyresorcinol

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 634-36-6
1,2,3-trimethoxybenzene

: 298-14-6
potassium hydrogencarbonate

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 89-86-1
4-hydroxysalicylic acid

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With water (γ-irradiation);
With ferrous(II) sulfate heptahydrate; dihydrogen peroxide In water at 20℃; pH=2.5; Fenton reaction; UV-irradiation;

: 87-66-1
2-hydroxyresorcinol

KHCO3: KHCO3

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
at 115℃;
With diphenylamine
at 115℃;

: 87-66-1
2-hydroxyresorcinol

potassium dicarbonate: potassium dicarbonate

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 7732-18-5
water

: 87-66-1
2-hydroxyresorcinol

potassium dicarbonate: potassium dicarbonate

A: 149-91-7
3,4,5-trihydroxybenzoic acid

B: 610-02-6
2,3,4-trihydroxybenzoic acid

...Expand

: 7732-18-5
water

: 87-66-1
2-hydroxyresorcinol

ammonium carbonate: ammonium carbonate

A: 610-02-6
2,3,4-trihydroxybenzoic acid

B: 27163-60-6
4,5,6-trihydroxyisophthalic acid

Conditions

Conditions	Yield
at 130℃;

...Expand

: 65-85-0
benzoic acid

A: 303-38-8
2,3-Dihydroxybenzoic acid

B: 490-79-9
2,5-dihydroxybenzoic acid.

C: 610-02-6
2,3,4-trihydroxybenzoic acid

D: 99-06-9
3-Carboxyphenol

E: 69-72-7
salicylic acid

F: 99-96-7
4-hydroxy-benzoic acid

G 2,4-, 2,6-, 3,4-, 3,5-dihydroxybenzoic acids, 2,3,5- 2,4,5- 3,4,5-trihydroxybenzoic acids, phenol, ...: 2,4-, 2,6-, 3,4-, 3,5-dihydroxybenzoic acids, 2,3,5- 2,4,5- 3,4,5-trihydroxybenzoic acids, phenol, ...

Conditions

Conditions	Yield
With hydrogenchloride; oxygen; iron(III) chloride In water Product distribution; Rate constant; Mechanism; hydroxylation by electrochemical Fenton reaction at pH=1, reaction time dependence;

...Expand

: 87-66-1
2-hydroxyresorcinol

ammonium carbonate: ammonium carbonate

A: 610-02-6
2,3,4-trihydroxybenzoic acid

B pyrogalloldicarboxylic acid: pyrogalloldicarboxylic acid

Conditions

Conditions	Yield
at 130℃;

...Expand

ω-chloro-2.3.4-triacetoxy-acetophenone: ω-chloro-2.3.4-triacetoxy-acetophenone

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With potassium permanganate; acetone Behandlung des Reaktionsprodukts mit alkoh. Salzsaeure;

: 124-38-9
carbon dioxide

: 87-66-1
2-hydroxyresorcinol

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With potassium hydrogencarbonate at 135℃;

: 87-66-1
2-hydroxyresorcinol

aqueous potassium dicarbonate: aqueous potassium dicarbonate

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 124-38-9
carbon dioxide

aqueous pyrogallol: aqueous pyrogallol

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
With sodium amalgam

: 87-66-1
2-hydroxyresorcinol

ammonium carbonate: ammonium carbonate

A: 610-02-6
2,3,4-trihydroxybenzoic acid

B: 27163-60-6
4,5,6-trihydroxyisophthalic acid

Conditions

Conditions	Yield
With water at 130℃;

...Expand

: 32361-59-4
2,3,4-trihydroxy-dithiobenzoic acid

concentrated KOH-solution: concentrated KOH-solution

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 2-chloro-1-(2,3,4-triacetoxy-phenyl)-ethanone

: 67-64-1
acetone

KMnO4: KMnO4

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
anschliessend Einw. des Reaktionsprodukts mit alkoh. Salzsaeure;

...Expand

: 28752-90-1
acetyl fraxinol

: 610-02-6
2,3,4-trihydroxybenzoic acid

Conditions

Conditions	Yield
Stage #1: acetyl fraxinol With potassium permanganate Stage #2: With hydrogen iodide In acetic acid for 4h; Heating;

: 67-56-1
methanol

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 56128-66-6
2,3,4-trihydroxybenzoic acid methyl ester

Conditions

Conditions	Yield
With molecular sieve; sulfuric acid for 120h; Heating;	98%
With toluene-4-sulfonic acid for 0.333333h; Microwave, 510 W;	90%
With hydrogenchloride
With sulfuric acid Heating;
With hydrogenchloride

: 108-73-6
3,5-dihydroxyphenol

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 5084-31-1
1,3,5,6-tetrahydroxy-xanthen-9-one

Conditions

Conditions	Yield
With methanesulfonic acid; phosphorus pentoxide at 100℃; for 0.25h;	98%
With zinc(II) chloride; trichlorophosphate at 65℃; for 4.5h; Inert atmosphere;	62%
With zinc(II) chloride; trichlorophosphate at 65℃; for 3h; Inert atmosphere;	52%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 107-30-2
chloromethyl methyl ether

: 280136-86-9
2,3,4-tris-methoxymethoxy-benzoic acid methoxymethyl ester

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 20℃; Condensation;	98%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 56128-66-6
2,3,4-trihydroxybenzoic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid In methanol	98%
With thionyl chloride

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 74-88-4
methyl iodide

: 56128-66-6
2,3,4-trihydroxybenzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 2,3,4-trihydroxybenzoic acid With potassium hydrogencarbonate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide for 12h;	95%
With potassium hydrogencarbonate In N,N-dimethyl-formamide at 20℃; for 12h;	95%
Stage #1: 2,3,4-trihydroxybenzoic acid With potassium hydrogencarbonate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: methyl iodide In N,N-dimethyl-formamide at 40℃;	92%
With potassium hydrogencarbonate In N,N-dimethyl-formamide at 40℃;

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 824-94-2
p-methoxybenzyl chloride

: 1338708-48-7
4-methoxybenzyl 2,3,4-tris((4-methoxybenzyl)oxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 70℃;	93%
With potassium carbonate In N,N-dimethyl-formamide at 70℃; Inert atmosphere;	92%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 87-66-1
2-hydroxyresorcinol

: 52479-85-3
2,3,4,3',4',5'-hexahydroxybenzophenone

Conditions

Conditions	Yield
With zinc(II) chloride; trichlorophosphate at 70℃; for 2.5h; Friedel-Crafts reaction;	90%
Stage #1: 2,3,4-trihydroxybenzoic acid; 2-hydroxyresorcinol With zinc(II) chloride; trichlorophosphate at 70℃; for 2.5h; Stage #2: With water at 4℃; for 24h; Cooling with ice;	90%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 298-14-6
potassium hydrogencarbonate

: 27163-60-6
4,5,6-trihydroxyisophthalic acid

Conditions

Conditions	Yield
In water at 180℃; High pressure;	82%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 100-39-0
benzyl bromide

: 1609113-44-1
benzyl 2,3,4-tris(benzyloxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate; sodium iodide In acetone Reflux;	81%
With potassium carbonate In N,N-dimethyl-formamide at 20 - 120℃;
With potassium carbonate In acetone for 8h; Reflux;

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 78-79-5
isoprene

: 86635-77-0
3,4-dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid

Conditions

Conditions	Yield
With phosphoric acid In xylene at 35℃; for 8h;	80%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 76088-63-6
4-nitro-1,2,3-trimethoxybenzene

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In acetonitrile at 50 - 60℃; for 0.25h;	70%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: C18H21NO3

: methyl 4-(2-isopropyl-5-methylphenoxy)-3-(2,3,4-trihydroxybenzamido)benzoate

Conditions

Conditions	Yield
With phosphorus trichloride In toluene at 110℃; for 0.5h; Microwave irradiation;	68%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 2-(4-(bromomethyl)phenyl)-N-isobutylbenzo[d]oxazole-7-carboxamide

: 4-(7-(isobutylcarbamoyl)benzo[d]oxazol-2-yl)benzyl-2,3,4-trihydroxy-benzoate

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide at 45℃;	54.1%

: 64-67-5
diethyl sulfate

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 2,3,4-triethoxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In water for 6h; Reflux;	53.5%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 77-78-1
dimethyl sulfate

: 5653-46-3
2-hydroxy-3,4-dimethoxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol	42%
With sodium hydroxide

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 74-88-4
methyl iodide

: 6395-23-9
methyl 2-hydroxy-3,4-dimethoxy-benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 68h;	40%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 141-97-9
ethyl acetoacetate

: 855286-70-3
7,8-dihydroxy-4-methyl-2-oxo-2H-chromene-6-carboxylic acid

Conditions

Conditions	Yield
With sulfuric acid at 20℃; for 6h; Pechmann condensation;	40%

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 108-42-9
3-chloro-aniline

: N-(3-chloro-phenyl)-2,3,4-trihydroxy-benzamide

Conditions

Conditions	Yield
With phosphorus trichloride In dibutyl ether at 140℃; for 4h;	37%

: 504-15-4
orcinol

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 106738-75-4
1,5,6-trihydroxy-3-methyl-9H-xanthen-9-one

Conditions

Conditions	Yield
With methanesulfonic acid; phosphorus pentoxide at 90℃;	33%
With zinc(II) chloride; trichlorophosphate

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 67-64-1
acetone

: 1204201-77-3
7,8-dihydroxy-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one

Conditions

Conditions	Yield
With trifluoroacetic anhydride In trifluoroacetic acid at 0℃; for 19h;	31%

: 186581-53-3, 908094-01-9
diazomethane

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 6395-18-2
methyl 2,3,4-trimethoxybenzoate

Conditions

Conditions	Yield
With diethyl ether

: 64-17-5
ethanol

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 90536-71-3
ethyl 2,3,4-trihydroxybenzoate

Conditions

Conditions	Yield
With hydrogenchloride at 60 - 70℃; in einer Druckflasche;
With hydrogenchloride
With sulfuric acid Heating;

: 20757-83-9
[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 4776-00-5
4-hydroxybenzo[d][1,3]dioxole-5-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide; acetone unter Ausschluss von Luft;

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 2,3,4-trihydroxy-benzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 861605-86-9
5-bromo-2,3,4-trihydroxy-benzoic acid

Conditions

Conditions	Yield
With bromine; acetic acid

: 610-02-6
2,3,4-trihydroxybenzoic acid

: 108-24-7
acetic anhydride

: 855291-88-2
triacetylgallic acid

2,3,4-Trihydroxybenzoic acid Specification

2,3,4-Trihydroxybenzoic acid is an organic compound with the formula C₇H₆O₅, and its systematic name is the same with the product name. With the CAS registry number 610-02-6, it is also named as Pyrogallol-4-carboxylic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS number is 210-205-9. In addition, the molecular weight is 170.12. Its classification code is Drug / Therapeutic Agent. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it is used as a pharmaceutical intermediate.

Physical properties of 2,3,4-Trihydroxybenzoic acid are: (1)ACD/LogP: 1.315; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 97.99 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 38.828 cm³; (15)Molar Volume: 97.252 cm³; (16)Polarizability: 15.393×10^-24cm³; (17)Surface Tension: 109.28 dyne/cm; (18)Density: 1.749 g/cm³; (19)Flash Point: 232.543 °C; (20)Enthalpy of Vaporization: 73.165 kJ/mol; (21)Boiling Point: 437.524 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2,3,4-Trihydroxybenzoic acid: it can be used to produce 4-Nitro-pyrogallol at the temperature of 50 - 60 °C. It will need reagent cerium(IV) ammonium nitrate and solvent acetonitrile with the reaction time of 15 min. The yield is about 70%.

2,3,4-Trihydroxybenzoic acid can be used to produce 4-Nitro-pyrogallol at the temperature of 50 - 60 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(O)c(O)c(O)cc1
(2)Std. InChI: InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
(3)Std. InChIKey: BRRSNXCXLSVPFC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 800mg/kg (800mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Product Name

2,3,4-Trihydroxybenzoic acid

Synthetic route

2,3,4-Trihydroxybenzoic acid Specification

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